N-cyclopropyl-6-methyl-4-(3-nitrophenyl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-cyclopropyl-6-methyl-4-(3-nitrophenyl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
N-cyclopropyl-6-methyl-4-(3-nitrophenyl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V001-8136 |
| Compound Name: | N-cyclopropyl-6-methyl-4-(3-nitrophenyl)-1-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1CC=C)=S)C(NC1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5448 |
| logD: | 2.5212 |
| logSw: | -2.8451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | BNBQTYOEOOFEPN-MRXNPFEDSA-N |