Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-

HCID 3072806
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기본 정보

CAS
144169-95-9
표준 SMILES
CCc1cccc(CC)c1NC(=O)C1c2ccccc2COc2ccc(C)cc21
InChIKey
GTWIRNCSQWSZJZ-UHFFFAOYSA-N
분자식
C26H27NO2
평균 분자량
385.5 g/mol
단동위원소 질량
385.2041791

이름 및 식별자

우선 이름
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-
IUPAC
N-(2,6-diethylphenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

이름 및 동의어

Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-N-(2,6-Diethylphenyl)-2-methyl-6,11-dihydro-ibenz(b,e)oxepin-11-carboxamide144169-95-9RefChem:336995CHEMBL353660SCHEMBL8797849DTXSID40932250GTWIRNCSQWSZJZ-UHFFFAOYSA-NBDBM500408382-Methyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-diethyl-phenyl)-amideN-(2,6-Diethylphenyl)-2-methyl-6,11-dihydrodibenzo[b,e]oxepine-11-carboximidic acidN-(2,6-Diethylphenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide

데이터베이스 식별자

CAS
144169-95-9
PubChem CID
3072806
ChEMBL
CHEMBL353660
Nikkaji
J581.046I

물성

구조 계산 물성

XLogP
5.9
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
29

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