기본 정보
- 표준 SMILES
O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)NCCN1CCOCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1- InChIKey
UDUDVSQQEIMVFC-HKBQPEDESA-N- 분자식
- C35H40N6O5
- 평균 분자량
- 624.7 g/mol
이름 및 식별자
- 우선 이름
- 1-cyclohexyl-2-(3-furyl)-N-[(1S)-1-[(5-hydroxy-1H-indol-3-yl)methyl]-2-(2-morpholinoethylamino)-2-oxo-ethyl]benzimidazole-5-carboxamide
- IUPAC
- 1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-3-(5-hydroxy-1H-indol-3-yl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]benzimidazole-5-carboxamide
이름 및 동의어
SCHEMBL14032631UDUDVSQQEIMVFC-HKBQPEDESA-N1-cyclohexyl-2-(3-furyl)-N-[(1S)-1-[(5-hydroxy-1H-indol-3-yl)methyl]-2-(2-morpholinoethylamino)-2-oxo-ethyl]benzimidazole-5-carboxamide1-cyclohexyl-2-furan-3-yl-1h-benzimidazole-5-carboxylic acid [(s)-2-(5-hydroxy-1h-indol-3-yl)-1-(2-morpholin-4-yl-ethylcarbamoyl)-ethyl]-amide1H-Benzimidazole-5-carboxamide, 1-cyclohexyl-2-(3-furanyl)-N-[(1S)-1-[(5-hydroxy-1H-indol-3-yl)methyl]-2-[[2-(4-morpholinyl)ethyl]amino]-2-oxoethyl]-
데이터베이스 식별자
- PubChem CID
- 491194
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,020
관련 반응
2건
화합물 노트
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